methyl 2-[2-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-[2-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[[2-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[[2-(4-chloro-5-methyl-3-nitro-1-pyrazolyl)-1-oxoethyl]amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-[[2-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-1-keto-isoquinoline-4-carboxylic acid methyl ester Formula: C17H14ClN5O6 MolecularWeight: 419.77596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H14ClN5O6/c1-9-14(18)15(23(27)28)20-21(9)8-13(24)19-22-7-12(17(26)29-2)10-5-3-4-6-11(10)16(22)25/h3-7H,8H2,1-2H3,(H,19,24)